#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ely s SER 2 N 0.00 3.51 0.34 1.61 0.15 -1.26 -5.13 113.70 112.93 2ely s SER 2 Ca 0.00 -0.41 -0.09 0.00 0.70 0.00 0.00 55.95 56.15 2ely s SER 2 Cb 0.00 -0.53 0.02 0.00 -1.71 0.00 0.00 66.02 63.80 2ely s SER 2 CO 0.00 0.30 0.59 -0.44 1.20 0.00 0.00 173.24 174.89 2ely s SER 3 N -0.95 0.42 -0.06 5.45 0.01 -1.26 -5.19 113.70 112.12 2ely s SER 3 Ca 0.12 -1.26 -0.30 0.00 1.31 0.00 0.00 55.95 55.83 2ely s SER 3 Cb -0.10 0.72 0.09 0.00 0.21 0.00 0.00 66.02 66.94 2ely s SER 3 CO 0.01 -1.41 0.80 -0.83 0.41 0.00 0.00 173.24 172.22 2ely s GLY 4 N -3.14 -0.47 0.03 3.44 0.00 -1.26 -5.18 107.32 100.75 2ely s GLY 4 Ca 0.23 1.44 -0.27 0.00 0.00 0.00 0.00 44.72 46.12 2ely s GLY 4 CO 0.15 0.84 0.73 -0.45 0.00 0.00 0.00 173.10 174.37 2ely s SER 5 N -1.45 -0.52 0.27 1.64 0.15 -1.26 -5.14 113.70 107.39 2ely s SER 5 Ca -0.05 0.23 -0.30 0.00 0.70 0.00 0.00 55.95 56.52 2ely s SER 5 Cb -0.00 0.50 -0.13 0.00 -1.71 0.00 0.00 66.02 64.68 2ely s SER 5 CO 0.03 -0.73 1.36 -0.24 1.20 0.00 0.00 173.24 174.87 2ely n SER 6 N 0.10 2.72 0.00 5.45 2.88 -1.26 -4.79 113.62 118.72 2ely n SER 6 Ca -0.15 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 2ely n SER 6 Cb 0.61 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 2ely n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ely n GLY 7 N 1.74 -0.55 0.48 0.46 0.00 -1.26 -5.03 105.19 101.03 2ely n GLY 7 Ca 0.10 0.62 -0.18 0.00 0.00 0.00 0.00 46.02 46.55 2ely n GLY 7 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2ely h THR 8 N 0.00 0.00 0.00 2.61 1.35 -2.08 -3.48 112.91 111.30 2ely h THR 8 Ca 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2ely h THR 8 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 2ely h THR 8 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2ely n GLY 9 N -1.29 1.75 3.97 5.82 0.00 -1.26 -5.16 105.19 109.02 2ely n GLY 9 Ca -0.15 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 2ely n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ely s GLU 10 N -0.15 2.51 -0.10 1.61 0.41 -1.26 -5.05 118.70 116.66 2ely s GLU 10 Ca 0.00 -0.74 -0.30 0.00 -0.41 0.00 0.00 54.97 53.53 2ely s GLU 10 Cb 0.00 -2.46 -0.01 0.00 -1.78 0.00 0.00 34.13 29.88 2ely s GLU 10 CO 0.00 -0.76 1.03 0.15 -0.49 0.00 0.00 175.26 175.19 2ely s LYS 11 N -4.81 4.41 0.16 1.61 3.01 -1.26 -4.95 119.74 117.91 2ely s LYS 11 Ca 0.58 1.43 -0.08 0.00 -1.01 0.00 0.00 55.97 56.88 2ely s LYS 11 Cb -0.10 -3.55 0.02 0.00 -1.01 0.00 0.00 37.83 33.19 2ely s LYS 11 CO 0.39 -0.35 1.50 -1.00 0.51 0.00 0.00 175.35 176.41 2ely h PRO 12 N 7.16 0.85 -5.85 -1.68 0.13 -1.90 -3.43 132.00 127.27 2ely h PRO 12 Ca -0.31 -0.45 -0.58 0.00 -0.87 0.00 0.00 66.00 63.80 2ely h PRO 12 Cb 1.15 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 2ely h PRO 12 CO 0.86 1.09 0.18 -0.06 -0.23 0.00 0.00 178.00 179.84 2ely s PHE 13 N -4.35 3.45 -0.01 1.56 0.08 -1.26 -5.02 117.98 112.43 2ely s PHE 13 Ca -0.10 1.11 0.02 0.00 0.12 0.00 0.00 56.93 58.08 2ely s PHE 13 Cb 0.11 -2.85 -0.00 0.00 -0.57 0.00 0.00 43.02 39.71 2ely s PHE 13 CO 0.87 -0.11 -0.05 0.15 -0.10 0.00 0.00 175.22 175.98 2ely s LYS 14 N 1.61 0.49 0.02 0.44 1.02 -1.26 -1.40 119.74 120.66 2ely s LYS 14 Ca 0.34 -0.18 -0.30 0.00 0.02 0.00 0.00 55.97 55.84 2ely s LYS 14 Cb -0.17 -0.48 -0.07 0.00 -0.52 0.00 0.00 37.83 36.60 2ely s LYS 14 CO 0.13 0.09 1.54 0.00 -0.92 0.00 0.00 175.35 176.19 2ely n VAL 16 N 4.80 0.11 -0.08 0.00 3.14 -1.26 0.17 118.33 125.21 2ely n VAL 16 Ca 0.15 0.03 -0.16 0.00 -2.96 0.00 0.00 64.34 61.40 2ely n VAL 16 Cb 0.42 -0.64 -0.14 0.00 -1.06 0.00 0.00 33.84 32.43 2ely n VAL 16 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2ely n GLU 17 N -1.13 0.68 0.00 1.45 1.02 -1.26 -4.78 120.64 116.62 2ely n GLU 17 Ca 0.15 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 2ely n GLU 17 Cb 0.13 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 2ely n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ely n GLY 19 N 2.65 1.71 1.71 0.00 0.00 0.44 -4.97 105.19 106.74 2ely n GLY 19 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2ely n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ely n LYS 20 N -0.64 -2.15 -3.75 1.61 5.02 -1.25 -4.60 118.16 112.39 2ely n LYS 20 Ca 0.00 -0.85 -0.25 0.00 -2.02 0.00 0.00 58.31 55.19 2ely n LYS 20 Cb 0.00 -0.81 -0.17 0.00 -0.02 0.00 0.00 35.03 34.03 2ely n LYS 20 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2ely s GLY 21 N -3.41 0.57 0.42 0.72 0.00 -1.26 -3.19 107.32 101.17 2ely s GLY 21 Ca 0.35 -0.37 0.01 0.00 0.00 0.00 0.00 44.72 44.70 2ely s GLY 21 CO 0.27 1.27 0.10 0.69 0.00 0.00 0.00 173.10 175.43 2ely n PHE 22 N 5.11 0.43 -0.11 1.90 3.01 -0.50 -5.00 117.46 122.30 2ely n PHE 22 Ca -0.08 -1.96 -0.15 0.00 1.01 0.00 0.00 57.45 56.27 2ely n PHE 22 Cb 0.49 -0.30 -0.12 0.00 -0.01 0.00 0.00 39.48 39.54 2ely n PHE 22 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2ely n SER 23 N -1.44 1.74 -4.03 4.37 3.41 -1.26 -4.11 113.62 112.30 2ely n SER 23 Ca -0.12 -0.10 -0.15 0.00 -0.26 0.00 0.00 58.87 58.24 2ely n SER 23 Cb 0.51 -0.09 -0.13 0.00 -0.26 0.00 0.00 64.21 64.24 2ely n SER 23 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ely s ARG 24 N -2.48 0.53 0.55 4.33 1.70 -1.26 -4.79 118.95 117.54 2ely s ARG 24 Ca -0.28 -0.54 0.34 0.00 -0.47 0.00 0.00 55.73 54.78 2ely s ARG 24 Cb 0.08 -0.41 1.49 0.00 -0.57 0.00 0.00 34.95 35.55 2ely s ARG 24 CO 0.60 0.09 1.82 0.07 -1.08 0.00 0.00 175.30 176.81 2ely h ARG 25 N 5.12 0.00 -0.49 3.89 -0.00 -1.97 0.27 114.38 121.20 2ely h ARG 25 Ca -0.33 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 59.60 2ely h ARG 25 Cb 1.20 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.15 2ely h ARG 25 CO 0.45 0.00 0.10 0.77 -0.00 0.00 0.00 179.97 181.28 2ely h SER 26 N 0.00 0.77 0.86 0.08 0.02 -1.98 0.41 113.55 113.71 2ely h SER 26 Ca 0.47 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 61.10 2ely h SER 26 Cb 1.97 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 64.30 2ely h SER 26 CO -0.00 0.82 -0.32 0.00 -1.14 0.00 0.00 176.83 176.18 2ely h ALA 27 N 0.98 1.01 0.00 3.77 0.00 -0.89 -2.64 119.26 121.48 2ely h ALA 27 Ca 0.15 -0.29 -0.23 0.00 0.00 0.00 0.00 54.91 54.54 2ely h ALA 27 Cb 0.37 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2ely h ALA 27 CO 0.01 0.41 -1.36 1.25 0.00 0.00 0.00 179.25 179.55 2ely h LEU 28 N 0.00 0.00 -0.56 0.00 5.85 -1.03 -3.27 115.31 116.31 2ely h LEU 28 Ca -0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 2ely h LEU 28 Cb 0.84 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2ely h LEU 28 CO 0.04 0.86 -0.67 0.78 -0.34 0.00 0.00 178.44 179.12 2ely h ASN 29 N 0.00 0.28 -0.33 1.25 2.35 -0.07 -2.99 115.58 116.07 2ely h ASN 29 Ca -0.16 -0.18 -0.14 0.00 -0.55 0.00 0.00 56.30 55.27 2ely h ASN 29 Cb 1.80 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 40.09 2ely h ASN 29 CO 0.08 0.87 -0.32 1.62 -1.65 0.00 0.00 177.43 178.03 2ely h VAL 30 N 0.17 1.29 0.00 2.81 3.04 -1.59 -2.87 116.25 119.10 2ely h VAL 30 Ca -0.02 -1.49 -0.01 0.00 -1.01 0.00 0.00 66.70 64.18 2ely h VAL 30 Cb 1.20 1.48 -0.00 0.00 -2.01 0.00 0.00 31.29 31.97 2ely h VAL 30 CO 0.10 0.49 -0.05 -0.74 -1.01 0.00 0.00 177.57 176.36 2ely h HIS 31 N 0.58 0.00 -0.43 3.17 -0.00 -1.60 -2.54 115.15 114.34 2ely h HIS 31 Ca 0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.35 2ely h HIS 31 Cb 0.90 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.29 2ely h HIS 31 CO 0.07 0.05 -0.06 0.45 -0.00 0.00 0.00 177.93 178.44 2ely h HIS 32 N 0.00 0.78 -0.35 5.26 -0.00 -1.35 -2.43 115.15 117.05 2ely h HIS 32 Ca -0.00 -0.12 0.10 0.00 -0.00 0.00 0.00 60.37 60.35 2ely h HIS 32 Cb 0.36 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 2ely h HIS 32 CO 0.00 0.76 0.38 0.87 -0.00 0.00 0.00 177.93 179.94 2ely h LYS 33 N 0.67 0.00 -0.17 2.45 6.56 -1.52 0.13 116.57 124.70 2ely h LYS 33 Ca 0.13 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.53 2ely h LYS 33 Cb 0.50 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.16 2ely h LYS 33 CO 0.03 0.00 -0.64 -0.07 -2.06 0.00 0.00 179.45 176.71 2ely h LEU 34 N 0.00 0.71 -0.27 2.94 3.38 -1.59 -3.24 115.31 117.23 2ely h LEU 34 Ca 0.17 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 2ely h LEU 34 Cb 0.92 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2ely h LEU 34 CO -0.00 1.17 0.10 0.45 0.09 0.00 0.00 178.44 180.25 2ely h HIS 35 N 0.45 0.42 -0.38 1.13 3.86 -0.83 -3.32 115.15 116.47 2ely h HIS 35 Ca -0.01 -0.03 -0.66 0.00 -1.16 0.00 0.00 60.37 58.50 2ely h HIS 35 Cb 1.22 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 29.52 2ely h HIS 35 CO 0.06 0.43 2.50 -2.37 0.86 0.00 0.00 177.93 179.41 2ely n THR 36 N -4.75 3.35 0.00 2.45 5.66 -1.09 -4.55 114.28 115.34 2ely n THR 36 Ca -0.03 -3.21 0.00 0.00 -3.05 0.00 0.00 64.05 57.76 2ely n THR 36 Cb 0.14 -2.44 0.00 0.00 -1.55 0.00 0.00 70.33 66.48 2ely n THR 36 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ely n GLY 37 N 4.81 0.98 3.01 1.09 0.00 -1.25 -4.96 105.19 108.86 2ely n GLY 37 Ca 0.50 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 46.24 2ely n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ely n GLU 38 N 0.00 -1.83 -1.13 1.61 1.02 -1.26 -4.68 120.64 114.37 2ely n GLU 38 Ca 0.00 -0.54 -0.42 0.00 -0.02 0.00 0.00 57.16 56.18 2ely n GLU 38 Cb 0.00 -1.41 -0.05 0.00 -0.02 0.00 0.00 31.44 29.96 2ely n GLU 38 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2ely n LYS 39 N -1.13 0.00 -2.02 3.49 4.81 -1.26 -4.86 118.16 117.18 2ely n LYS 39 Ca 0.04 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.14 2ely n LYS 39 Cb 0.36 -1.01 0.02 0.00 0.02 0.00 0.00 35.03 34.43 2ely n LYS 39 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2ely s PRO 40 N -0.30 3.10 -0.86 1.64 0.04 -1.26 -4.98 135.00 132.37 2ely s PRO 40 Ca 0.62 1.51 -0.16 0.00 0.04 0.00 0.00 61.00 63.01 2ely s PRO 40 Cb -0.88 -1.98 0.18 0.00 0.04 0.00 0.00 34.50 31.86 2ely s PRO 40 CO 0.44 -1.04 0.91 0.45 0.04 0.00 0.00 177.00 177.80 2ely s SER 41 N -2.15 6.69 0.00 6.66 0.15 -1.26 -4.95 113.70 118.84 2ely s SER 41 Ca 0.70 -2.38 0.00 0.00 0.70 0.00 0.00 55.95 54.97 2ely s SER 41 Cb -0.22 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2ely s SER 41 CO 0.34 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.59 2ely n GLY 42 N 4.65 -1.08 3.72 9.45 0.00 -1.26 -4.89 105.19 115.77 2ely n GLY 42 Ca 0.17 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 2ely n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ely s PRO 43 N -1.54 4.34 0.43 1.61 0.04 -1.26 -5.03 135.00 133.58 2ely s PRO 43 Ca 0.00 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.14 2ely s PRO 43 Cb 0.00 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.29 2ely s PRO 43 CO 0.00 -0.40 0.58 -1.54 0.04 0.00 0.00 177.00 175.68 2ely s SER 44 N 1.06 5.65 -0.04 6.66 1.04 -1.26 -5.13 113.70 121.69 2ely s SER 44 Ca 0.63 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.75 2ely s SER 44 Cb -0.36 -0.76 0.01 0.00 0.10 0.00 0.00 66.02 65.01 2ely s SER 44 CO 0.30 -0.77 -0.07 -0.55 0.98 0.00 0.00 173.24 173.14 2ely s SER 45 N -4.34 1.09 0.00 7.02 0.15 -1.26 -5.26 113.70 111.10 2ely s SER 45 Ca 0.54 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2ely s SER 45 Cb -0.10 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.80 2ely s SER 45 CO 0.34 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.39